1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

C39H23N5S — CID 177267775

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267775) has the molecular formula C39H23N5S and a molecular weight of 609.81 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267775
• Molecular Formula: C39H23N5S
• Molecular Weight: 609.81 g/mol
• Exact Mass: 609.27
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccc3c(c2)sc2ccccc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C39H23N5S/c1-6-16-31-25(11-1)26-12-2-7-17-32(26)43(31)38-40-37(24-21-22-30-29-15-5-10-20-35(29)45-36(30)23-24)41-39(42-38)44-33-18-8-3-13-27(33)28-14-4-9-19-34(28)44/h1-23H/i1D,2D,3D,4D,6D,7D,8D,9D,11D,12D,13D,14D,16D,17D,18D,19D
• InChIKey: SNTXKXGXPBBDSP-MIUNDJOMSA-N
• XLogP: 10.10
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.81
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 177267775) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccc3c(c2)sc2ccccc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

The InChIKey is SNTXKXGXPBBDSP-MIUNDJOMSA-N. The full InChI is InChI=1S/C39H23N5S/c1-6-16-31-25(11-1)26-12-2-7-17-32(26)43(31)38-40-37(24-21-22-30-29-15-5-10-20-35(29)45-36(30)23-24)41-39(42-38)44-33-18-8-3-13-27(33)28-14-4-9-19-34(28)44/h1-23H/i1D,2D,3D,4D,6D,7D,8D,9D,11D,12D,13D,14D,16D,17D,18D,19D.

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 609.81 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).